D097-0029 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methylphenoxy)acetate

D097-0029 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methylphenoxy)acetate
D097-0029 Screening compound: 3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methylphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D097-0029
3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methylphenoxy)acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D097-0029

Molecular Formula

C26H23NO6S (C26 H23 NO6 S)

Compound Name

3-benzoyl-2-ethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl 2-(4-methylphenoxy)acetate

IUPAC name

3-benzoyl-2-ethyl-11-dioxo-2H-1lambda62-benzothiazin-4-yl 2-(4-methylphenoxy)acetate

SMILES

CCN(C(C(c1ccccc1)=O)=C(c1c2cccc1)OC(COc1ccc(C)cc1)=O)S2(=O)=O

InChI

InChI=1S/C26H23NO6S/c1-3-27-24(25(29)19-9-5-4-6-10-19)26(21-11-7-8-12-22(21)34(27,30)31)33-23(28)17-32-20-15-13-18(2)14-16-20/h4-16H,3,17H2,1-2H3

InChI Key

AVYLRFFMJVACPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.488

Distribution Coefficient, logD

4.488

Water Solubility, LogSw

-4.45

Polar Surface Area

72.735

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

-9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D097-0029 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D097-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D097-0029?
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What is the minimum amount of D097-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D097-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D097-0029
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D097-0029 available by request